SCHEMBL11516596

SCHEMBL11516596

c1ccc(-c2cccc3ncsc23)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
HSD17B10 Q99714 3/20 0.45
LIMK1 P53667 2/20 0.40
KDM4E B2RXH2 1/20 0.37
ACVR1 Q04771 1/20 0.36
TOP1 P11387 1/20 0.35
PDPK1 O15530 2/20 0.35
HPGD P15428 1/20 0.34
BCL2L1 Q07817 1/20 0.34
CYP2A6 P11509 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP17A1 P05093 1/20 0.34
CYP1A2 P05177 1/20 0.34
IKBKB O14920 1/20 0.33
METAP2 P50579 1/20 0.33
TNF P01375 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1638443 0.84 CDK5 (0.42) ALDH1A1HSD17B10ACVR1TOP1CYP17A1
SCHEMBL24156072 0.84 NPC1 (0.38) ALDH1A1HSD17B10KDM4EACVR1L3MBTL1
SCHEMBL17231486 0.82 ACVR1 (0.39) ALDH1A1HSD17B10LIMK1ACVR1MAPK1
SCHEMBL27177778 0.81 LOXL2 (0.44) ALDH1A1HSD17B10KDM4EACVR1HPGD
SCHEMBL17691815 0.81 ACVR1 (0.39) ALDH1A1HSD17B10LIMK1ACVR1CYP1A2
SCHEMBL17231472 0.80 ALDH1A1 (0.38) ALDH1A1HSD17B10LIMK1ACVR1MAPK1
SCHEMBL29283132 0.80 APP (0.44) ALDH1A1HSD17B10ACVR1
SCHEMBL28045112 0.80 ABL1 (0.44) ALDH1A1KDM4EL3MBTL1
SCHEMBL17231497 0.80 ALDH1A1 (0.38) ALDH1A1HSD17B10LIMK1ACVR1MAPK1
SCHEMBL31206376 0.78 ALDH1A1 (0.46) ALDH1A1HSD17B10KDM4EACVR1HPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4179296-A CONTAINING A BENZIMIDAZOLOCARBOCYANINE DYE AND AT LEAST ONE OTHER CYANINE DYE FUJI PHOTO FILM CO., LTD. (JP) 1979-12-18 US disclosed
US-4094683-A HETEROCYCLIC QUATERNARY AMMONIUM COMPOUND AS FOGGING AGENT FUJI PHOTO FILM CO., LTD. (JA) 1978-06-13 US disclosed
US-4053318-A SENSITIZING MEROCYANINE DYE FUJI PHOTO FILM CO., LTD. (JA) 1977-10-11 US disclosed